1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione

C14H17BrN2O2 — CID 64962329

IUPAC1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(c2ccccc2Br)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-4-14(3)13(19)17(9(2)12(18)16-14)11-8-6-5-7-10(11)15/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyFJLNVYYYIAHHLO-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.47
Rot. Bonds2

About 1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione

1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64962329) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
PubChem CID64962329
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(c2ccccc2Br)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-4-14(3)13(19)17(9(2)12(18)16-14)11-8-6-5-7-10(11)15/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyFJLNVYYYIAHHLO-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107640312
1-(4-bromo-2,5-difluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107608176
1-(4-bromo-2-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64962263
3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962096
3-ethyl-1-(4-fluoro-2-iodophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 79771236
1-(2-chloro-4-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64961505
3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64955381
3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione
CID 64956245
1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 82860800
3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962248
1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64962615
3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64958015

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione (CID 64962329) is 1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(c2ccccc2Br)C1=O.
What is the InChIKey of 1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is FJLNVYYYIAHHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-4-14(3)13(19)17(9(2)12(18)16-14)11-8-6-5-7-10(11)15/h5-9H,4H2,1-3H3,(H,16,18).
What are the key properties of 1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 325.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64962329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).